5-chloranyl-2-ethylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-ethylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-ethylsulfanyl-N-[4-(1-piperidylsulfonyl)phenyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(ethylthio)-N-[4-(1-piperidinylsulfonyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-ethylsulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(ethylthio)-N-(4-piperidinosulfonylphenyl)pyrimidine-4-carboxamide Formula: C18H21ClN4O3S2 MolecularWeight: 440.96734

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C18H21ClN4O3S2/c1-2-27-18-20-12-15(19)16(22-18)17(24)21-13-6-8-14(9-7-13)28(25,26)23-10-4-3-5-11-23/h6-9,12H,2-5,10-11H2,1H3,(H,21,24)